2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid

C9H16O4S — CID 81009206

IUPAC2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCC1CCCC1C(=O)O
InChIInChI=1S/C9H16O4S/c1-14(12,13)6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyIQVWNCNEWIWISK-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid

2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid (PubChem CID 81009206) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid
PubChem CID81009206
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)CCC1CCCC1C(=O)O
InChIInChI=1S/C9H16O4S/c1-14(12,13)6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyIQVWNCNEWIWISK-UHFFFAOYSA-N
XLogP0.92
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid (CID 81009206) is 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid is CS(=O)(=O)CCC1CCCC1C(=O)O.
What is the InChIKey of 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid?
The InChIKey is IQVWNCNEWIWISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-14(12,13)6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid?
2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid has a molecular weight of 220.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81009206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).